N-[4-(azepan-1-yl)phenyl]-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]ethanamide

Systemtic Name: N-[4-(azepan-1-yl)phenyl]-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]ethanamide Openeye Name: N-[4-(azepan-1-yl)phenyl]-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]acetamide CAS Name: N-[4-(1-azepanyl)phenyl]-2-[(2R)-2-(1-methyl-2-pyrrolyl)-1-pyrrolidin-1-iumyl]acetamide IUPAC Name: N-[4-(azepan-1-yl)phenyl]-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]acetamide Traditional Name: N-[4-(azepan-1-yl)phenyl]-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]acetamide Formula: C23H33N4O+ MolecularWeight: 381.53432

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C2CCC[NH+]2CC(=O)NC3=CC=C(C=C3)N4CCCCCC4

Isomeric SMILES

CN1C=CC=C1[C@H]2CCC[NH+]2CC(=O)NC3=CC=C(C=C3)N4CCCCCC4

InChI

InChI=1S/C23H32N4O/c1-25-14-6-8-21(25)22-9-7-17-27(22)18-23(28)24-19-10-12-20(13-11-19)26-15-4-2-3-5-16-26/h6,8,10-14,22H,2-5,7,9,15-18H2,1H3,(H,24,28)/p+1/t22-/m1/s1